1GVV

Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes; implications for the Aspartic Proteinase Mechanism

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	130
Detector technology	CCD
Collection date	2001-04-01
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	42.470, 74.310, 42.810
Unit cell angles	90.00, 97.46, 90.00

Refinement procedure

Resolution	10.000 - 1.050
R-factor	0.126
R-free	0.14040 *
Structure solution method	OTHER
RMSD bond length	0.020
RMSD bond angle	0.042
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.110
High resolution limit [Å]	1.050	1.050
Rmerge	0.071	0.140
Number of reflections	148992
<I/σ(I)>	5.3	1.7
Completeness [%]	98.3	99.4
Redundancy	4.9	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	4.5		PH 4.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	enzyme	2.0 (mg/ml)
2	1	1	sodium acetate	100 (mM)